2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C11H18ClF3N2O — CID 119748911

IUPAC2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C11H17F3N2O.ClH/c1-2-5-16(8-11(12,13)14)10(17)7-15-6-9-3-4-9;/h2,9,15H,1,3-8H2;1H
InChIKeyYHJOVYOVDMTWIU-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.98
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 119748911) has the molecular formula C11H18ClF3N2O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID119748911
Molecular FormulaC11H18ClF3N2O
Molecular Weight286.72 g/mol
Exact Mass286.11
IUPAC Name2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C11H17F3N2O.ClH/c1-2-5-16(8-11(12,13)14)10(17)7-15-6-9-3-4-9;/h2,9,15H,1,3-8H2;1H
InChIKeyYHJOVYOVDMTWIU-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 119748911) is 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is C=CCN(CC(F)(F)F)C(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is YHJOVYOVDMTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O.ClH/c1-2-5-16(8-11(12,13)14)10(17)7-15-6-9-3-4-9;/h2,9,15H,1,3-8H2;1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 286.72 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 119748911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).